3-[4-[3-(4-nitrophenyl)propyl]piperazin-1-yl]-1,2-benzothiazole

Systemtic Name: 3-[4-[3-(4-nitrophenyl)propyl]piperazin-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[3-(4-nitrophenyl)propyl]piperazin-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[3-(4-nitrophenyl)propyl]-1-piperazinyl]-1,2-benzothiazole IUPAC Name: 3-[4-[3-(4-nitrophenyl)propyl]piperazin-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[3-(4-nitrophenyl)propyl]piperazino]-1,2-benzothiazole Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=C(C=C2)[N+](=O)[O-])C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCCC2=CC=C(C=C2)[N+](=O)[O-])C3=NSC4=CC=CC=C43

InChI

InChI=1S/C20H22N4O2S/c25-24(26)17-9-7-16(8-10-17)4-3-11-22-12-14-23(15-13-22)20-18-5-1-2-6-19(18)27-21-20/h1-2,5-10H,3-4,11-15H2